Information card for entry 2213760

Structure parameters

• Chemical name: 3,5-Dimethyl-1-(triphenylmethyl)-1H-pyrazole
• Formula: C24 H22 N2
• Calculated formula: C24 H22 N2
• SMILES: n1(nc(cc1C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 3,5-Dimethyl-1-(triphenylmethyl)-1<i>H</i>-pyrazole
• Authors of publication: Guzei, Ilia A.; Keter, Frankline; Spencer, Lara C.; Darkwa, James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2997 - o2997
• a: 9.5264 ± 0.0005 Å
• b: 8.6992 ± 0.0004 Å
• c: 21.9714 ± 0.0011 Å
• α: 90°
• β: 93.961 ± 0.001°
• γ: 90°
• Cell volume: 1816.47 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes